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	hartrees
Energy at 0K	-171.091536
Energy at 298.15K	-171.098094
HF Energy	-171.091536
Nuclear repulsion energy	81.975789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3775	3642	8.66
2	A	3554	3430	0.35
3	A	3471	3350	0.60
4	A	3099	2991	32.29
5	A	3014	2909	64.64
6	A	1675	1616	17.71
7	A	1513	1460	0.18
8	A	1427	1377	39.39
9	A	1392	1343	1.54
10	A	1377	1329	2.31
11	A	1161	1121	17.14
12	A	1097	1058	20.27
13	A	1001	966	229.36
14	A	903	872	3.40
15	A	840	810	138.84
16	A	466	450	44.36
17	A	403	389	98.55
18	A	296	285	49.87

Atom	x (Å)	y (Å)	z (Å)
N1	1.235	-0.157	-0.022
C2	-0.032	0.537	0.047
O3	-1.205	-0.264	-0.114
H4	1.260	-0.731	-0.862
H5	1.339	-0.790	0.767
H6	-0.062	1.089	0.996
H7	-0.080	1.256	-0.775
H8	-1.271	-0.837	0.660

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4457	2.4436	1.0176	1.0175	2.0664	2.0713	2.6843
C2	1.4457		1.4293	2.0252	2.0394	1.0983	1.0930	1.9489
O3	2.4436	1.4293		2.6175	2.7434	2.0900	2.0026	0.9656
H4	1.0176	2.0252	2.6175		1.6327	2.9174	2.3974	2.9549
H5	1.0175	2.0394	2.7434	1.6327		2.3549	2.9288	2.6125
H6	2.0664	1.0983	2.0900	2.9174	2.3549		1.7792	2.2983
H7	2.0713	1.0930	2.0026	2.3974	2.9288	1.7792		2.8029
H8	2.6843	1.9489	0.9656	2.9549	2.6125	2.2983	2.8029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.411	N1	C2	H6	107.854
N1	C2	H7	108.547	C2	N1	H4	109.366
C2	N1	H5	110.568	C2	O3	H8	107.341
O3	C2	H6	110.875	O3	C2	H7	104.316
H4	N1	H5	106.686	H6	C2	H7	108.567

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	-0.539
2	C	-0.049
3	O	-0.446
4	H	0.248
5	H	0.237
6	H	0.120
7	H	0.144
8	H	0.285

	x	y	z	Total
	0.232	-1.120	1.174	1.639
CHELPG
AIM
ESP

	x	y	z
x	3.764	-0.113	-0.093
y	-0.113	3.553	-0.151
z	-0.093	-0.151	3.542

<r²>	49.577
(<r²>)^1/2	7.041

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)